(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C11H11F4N — CID 131613298

IUPAC(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2c1ccc(F)c2C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-8-5-4-6-7(2-1-3-9(6)16)10(8)11(13,14)15/h4-5,9H,1-3,16H2/t9-/m1/s1
InChIKeyDMGXYIXXMUEWES-SECBINFHSA-N
MW233.21 g/mol
LogP3.18
Rot. Bonds

About (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 131613298) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID131613298
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2c1ccc(F)c2C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-8-5-4-6-7(2-1-3-9(6)16)10(8)11(13,14)15/h4-5,9H,1-3,16H2/t9-/m1/s1
InChIKeyDMGXYIXXMUEWES-SECBINFHSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-fluoro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130740875
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131122901
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473
[(5R)-5-amino-2-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
CID 130701464
(1R)-5-fluoro-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131418002
(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131365388
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328
(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 131072460
(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride
CID 163321447
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-[2-(trifluoromethylsulfanyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 116615123

Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 131613298) is (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1CCCc2c1ccc(F)c2C(F)(F)F.
What is the InChIKey of (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DMGXYIXXMUEWES-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-5-4-6-7(2-1-3-9(6)16)10(8)11(13,14)15/h4-5,9H,1-3,16H2/t9-/m1/s1.
What are the key properties of (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 233.21 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 131613298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).